1-[(2,3-dichlorophenyl)methyl]-7-(2,2-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one

C19H20Cl2N4O2 — CID 57391366

IUPAC1-[(2,3-dichlorophenyl)methyl]-7-(2,2-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one
SMILESCC1(C)CN(c2cc(=O)n3ccn(Cc4cccc(Cl)c4Cl)c3n2)CCO1
InChIInChI=1S/C19H20Cl2N4O2/c1-19(2)12-24(8-9-27-19)15-10-16(26)25-7-6-23(18(25)22-15)11-13-4-3-5-14(20)17(13)21/h3-7,10H,8-9,11-12H2,1-2H3
InChIKeyDLFJDTZVMJKBQH-UHFFFAOYSA-N
MW407.30 g/mol
LogP3.47
Rot. Bonds3

About 1-[(2,3-dichlorophenyl)methyl]-7-(2,2-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one

1-[(2,3-dichlorophenyl)methyl]-7-(2,2-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one (PubChem CID 57391366) has the molecular formula C19H20Cl2N4O2 and a molecular weight of 407.30 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]-7-(2,2-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]-7-(2,2-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one
PubChem CID57391366
Molecular FormulaC19H20Cl2N4O2
Molecular Weight407.30 g/mol
Exact Mass406.10
IUPAC Name1-[(2,3-dichlorophenyl)methyl]-7-(2,2-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one
SMILESCC1(C)CN(c2cc(=O)n3ccn(Cc4cccc(Cl)c4Cl)c3n2)CCO1
InChIInChI=1S/C19H20Cl2N4O2/c1-19(2)12-24(8-9-27-19)15-10-16(26)25-7-6-23(18(25)22-15)11-13-4-3-5-14(20)17(13)21/h3-7,10H,8-9,11-12H2,1-2H3
InChIKeyDLFJDTZVMJKBQH-UHFFFAOYSA-N
XLogP3.47
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-7-(2,2-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-7-(2,2-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one (CID 57391366) is 1-[(2,3-dichlorophenyl)methyl]-7-(2,2-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]-7-(2,2-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]-7-(2,2-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one is CC1(C)CN(c2cc(=O)n3ccn(Cc4cccc(Cl)c4Cl)c3n2)CCO1.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]-7-(2,2-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is DLFJDTZVMJKBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O2/c1-19(2)12-24(8-9-27-19)15-10-16(26)25-7-6-23(18(25)22-15)11-13-4-3-5-14(20)17(13)21/h3-7,10H,8-9,11-12H2,1-2H3.
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]-7-(2,2-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one?
1-[(2,3-dichlorophenyl)methyl]-7-(2,2-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 407.30 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methyl]-7-(2,2-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 57391366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).